CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC(O)CO)cc3n2C2CCC2)cc1
SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC(O)CO)cc3n2C2CCC2)cc1

Molecular Processing

Molecular formula
C27H31N3O5
Molecular weight
477.56
Exact mass
477.2264
XLogP
4.98
TPSA
116.74
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
133.42

Supplementary Information

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